2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide

C22H28N6O2 — CID 126671897

IUPAC2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)c(N)c2)cnc1N
InChIInChI=1S/C22H28N6O2/c23-19-12-14(15-11-18(21(25)29)20(24)26-13-15)3-4-17(19)22(30)28-9-5-16(6-10-28)27-7-1-2-8-27/h3-4,11-13,16H,1-2,5-10,23H2,(H2,24,26)(H2,25,29)
InChIKeyNIZWVCWGJQXDBP-UHFFFAOYSA-N
MW408.51 g/mol
LogP1.71
Rot. Bonds4

About 2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide

2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 126671897) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID126671897
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)c(N)c2)cnc1N
InChIInChI=1S/C22H28N6O2/c23-19-12-14(15-11-18(21(25)29)20(24)26-13-15)3-4-17(19)22(30)28-9-5-16(6-10-28)27-7-1-2-8-27/h3-4,11-13,16H,1-2,5-10,23H2,(H2,24,26)(H2,25,29)
InChIKeyNIZWVCWGJQXDBP-UHFFFAOYSA-N
XLogP1.71
TPSA131.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 126671603
2-amino-5-[3-amino-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 126674957
(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61042349
(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61140481
[4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58885873
[4-[6-amino-5-[(4,6-dimethylpyrimidin-2-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58885903
(2-amino-3-pyridinyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174890
[4-[6-amino-5-[(3,4-difluorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58885783
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115745976
[4-[6-amino-5-[(3-bromophenyl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58886491
(4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62160832
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide (CID 126671897) is 2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide is NC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)c(N)c2)cnc1N.
What is the InChIKey of 2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is NIZWVCWGJQXDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c23-19-12-14(15-11-18(21(25)29)20(24)26-13-15)3-4-17(19)22(30)28-9-5-16(6-10-28)27-7-1-2-8-27/h3-4,11-13,16H,1-2,5-10,23H2,(H2,24,26)(H2,25,29).
What are the key properties of 2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 126671897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).