N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C48H56ClN9O4 — CID 90012912

IUPACN-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCc1ncccc1C(=O)N1CCC(CCCCNC(=O)c2cc3cnccc3[nH]2)CC1.O=C(NCCCCC1CCN(C(=O)c2ccccc2Cl)CC1)c1ccc2nccn2c1
InChIInChI=1S/C24H27ClN4O2.C24H29N5O2/c25-21-7-2-1-6-20(21)24(31)28-14-10-18(11-15-28)5-3-4-12-27-23(30)19-8-9-22-26-13-16-29(22)17-19;1-17-20(6-4-11-26-17)24(31)29-13-8-18(9-14-29)5-2-3-10-27-23(30)22-15-19-16-25-12-7-21(19)28-22/h1-2,6-9,13,16-18H,3-5,10-12,14-15H2,(H,27,30);4,6-7,11-12,15-16,18,28H,2-3,5,8-10,13-14H2,1H3,(H,27,30)
InChIKeyVEWAQHJMBVONRY-UHFFFAOYSA-N
MW858.49 g/mol
LogP8.16
Rot. Bonds14

About N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 90012912) has the molecular formula C48H56ClN9O4 and a molecular weight of 858.49 g/mol. Its IUPAC name is N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID90012912
Molecular FormulaC48H56ClN9O4
Molecular Weight858.49 g/mol
Exact Mass857.41
IUPAC NameN-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCc1ncccc1C(=O)N1CCC(CCCCNC(=O)c2cc3cnccc3[nH]2)CC1.O=C(NCCCCC1CCN(C(=O)c2ccccc2Cl)CC1)c1ccc2nccn2c1
InChIInChI=1S/C24H27ClN4O2.C24H29N5O2/c25-21-7-2-1-6-20(21)24(31)28-14-10-18(11-15-28)5-3-4-12-27-23(30)19-8-9-22-26-13-16-29(22)17-19;1-17-20(6-4-11-26-17)24(31)29-13-8-18(9-14-29)5-2-3-10-27-23(30)22-15-19-16-25-12-7-21(19)28-22/h1-2,6-9,13,16-18H,3-5,10-12,14-15H2,(H,27,30);4,6-7,11-12,15-16,18,28H,2-3,5,8-10,13-14H2,1H3,(H,27,30)
InChIKeyVEWAQHJMBVONRY-UHFFFAOYSA-N
XLogP8.16
TPSA157.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.49
LogP ≤ 58.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 90012912) is N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is Cc1ncccc1C(=O)N1CCC(CCCCNC(=O)c2cc3cnccc3[nH]2)CC1.O=C(NCCCCC1CCN(C(=O)c2ccccc2Cl)CC1)c1ccc2nccn2c1.
What is the InChIKey of N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is VEWAQHJMBVONRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2.C24H29N5O2/c25-21-7-2-1-6-20(21)24(31)28-14-10-18(11-15-28)5-3-4-12-27-23(30)19-8-9-22-26-13-16-29(22)17-19;1-17-20(6-4-11-26-17)24(31)29-13-8-18(9-14-29)5-2-3-10-27-23(30)22-15-19-16-25-12-7-21(19)28-22/h1-2,6-9,13,16-18H,3-5,10-12,14-15H2,(H,27,30);4,6-7,11-12,15-16,18,28H,2-3,5,8-10,13-14H2,1H3,(H,27,30).
What are the key properties of N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 858.49 g/mol, XLogP of 8.16, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).