N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide

C19H20N4O2 — CID 97448947

IUPACN-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide
SMILESCC(=O)N1C[C@@H]2[C@H](NC(=O)c3ccc(N)nc3)c3ccccc3[C@@H]2C1
InChIInChI=1S/C19H20N4O2/c1-11(24)23-9-15-13-4-2-3-5-14(13)18(16(15)10-23)22-19(25)12-6-7-17(20)21-8-12/h2-8,15-16,18H,9-10H2,1H3,(H2,20,21)(H,22,25)/t15-,16-,18+/m0/s1
InChIKeyMLNFXZPNJLFUEZ-XYJFISCASA-N
MW336.40 g/mol
LogP1.71
Rot. Bonds2

About N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide

N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide (PubChem CID 97448947) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide
PubChem CID97448947
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide
SMILESCC(=O)N1C[C@@H]2[C@H](NC(=O)c3ccc(N)nc3)c3ccccc3[C@@H]2C1
InChIInChI=1S/C19H20N4O2/c1-11(24)23-9-15-13-4-2-3-5-14(13)18(16(15)10-23)22-19(25)12-6-7-17(20)21-8-12/h2-8,15-16,18H,9-10H2,1H3,(H2,20,21)(H,22,25)/t15-,16-,18+/m0/s1
InChIKeyMLNFXZPNJLFUEZ-XYJFISCASA-N
XLogP1.71
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide with MolForge

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Related Compounds

N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide
CID 97448963
N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-4-imidazol-1-ylbenzamide
CID 97407807
6-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072949
6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 133130837
N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide
CID 131679348
6-amino-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540580
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
6-amino-N-(3,3-difluorocyclobutyl)pyridine-3-carboxamide
CID 171037193
6-amino-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 62072779
N-(4-acetamidophenyl)-6-aminopyridine-3-carboxamide
CID 110861506
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62160287
(6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 141132994

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide?
The IUPAC name of N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide (CID 97448947) is N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide.
What is the SMILES notation for N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide?
The canonical SMILES for N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide is CC(=O)N1C[C@@H]2[C@H](NC(=O)c3ccc(N)nc3)c3ccccc3[C@@H]2C1.
What is the InChIKey of N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide?
The InChIKey is MLNFXZPNJLFUEZ-XYJFISCASA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11(24)23-9-15-13-4-2-3-5-14(13)18(16(15)10-23)22-19(25)12-6-7-17(20)21-8-12/h2-8,15-16,18H,9-10H2,1H3,(H2,20,21)(H,22,25)/t15-,16-,18+/m0/s1.
What are the key properties of N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide?
N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide is sourced from PubChem (CID 97448947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).