N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide

C26H37N5O2 — CID 117094329

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccnc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)c1)C(C)C
InChIInChI=1S/C26H37N5O2/c1-19(2)31(20(3)4)13-12-28-25(32)23-10-11-27-24(18-23)21-6-8-22(9-7-21)26(33)30-16-14-29(5)15-17-30/h6-11,18-20H,12-17H2,1-5H3,(H,28,32)
InChIKeyNYUMPZSMIROSKO-UHFFFAOYSA-N
MW451.62 g/mol
LogP2.98
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide (PubChem CID 117094329) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide
PubChem CID117094329
Molecular FormulaC26H37N5O2
Molecular Weight451.62 g/mol
Exact Mass451.29
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccnc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)c1)C(C)C
InChIInChI=1S/C26H37N5O2/c1-19(2)31(20(3)4)13-12-28-25(32)23-10-11-27-24(18-23)21-6-8-22(9-7-21)26(33)30-16-14-29(5)15-17-30/h6-11,18-20H,12-17H2,1-5H3,(H,28,32)
InChIKeyNYUMPZSMIROSKO-UHFFFAOYSA-N
XLogP2.98
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 117093223
[2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 74251376
N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053540
N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109045940
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
N-[2-[di(propan-2-yl)amino]ethyl]naphthalene-2-carboxamide
CID 17461104
(4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone
CID 119063293
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24560136
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43325545
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39466436
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 117094552

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide (CID 117094329) is N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide is CC(C)N(CCNC(=O)c1ccnc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)c1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide?
The InChIKey is NYUMPZSMIROSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O2/c1-19(2)31(20(3)4)13-12-28-25(32)23-10-11-27-24(18-23)21-6-8-22(9-7-21)26(33)30-16-14-29(5)15-17-30/h6-11,18-20H,12-17H2,1-5H3,(H,28,32).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide has a molecular weight of 451.62 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 117094329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).