4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide

C27H30N6O2 — CID 58440042

IUPAC4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCN1CCC(=O)N(c2ccc(Cc3cc(N[C@@H]4CCc5ccccc54)c(C(N)=O)cn3)nc2)CC1
InChIInChI=1S/C27H30N6O2/c1-32-11-10-26(34)33(13-12-32)21-8-7-19(29-16-21)14-20-15-25(23(17-30-20)27(28)35)31-24-9-6-18-4-2-3-5-22(18)24/h2-5,7-8,15-17,24H,6,9-14H2,1H3,(H2,28,35)(H,30,31)/t24-/m1/s1
InChIKeyOSSUJYZVYHYLQZ-XMMPIXPASA-N
MW470.58 g/mol
LogP2.93
Rot. Bonds6

About 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide

4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 58440042) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID58440042
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCN1CCC(=O)N(c2ccc(Cc3cc(N[C@@H]4CCc5ccccc54)c(C(N)=O)cn3)nc2)CC1
InChIInChI=1S/C27H30N6O2/c1-32-11-10-26(34)33(13-12-32)21-8-7-19(29-16-21)14-20-15-25(23(17-30-20)27(28)35)31-24-9-6-18-4-2-3-5-22(18)24/h2-5,7-8,15-17,24H,6,9-14H2,1H3,(H2,28,35)(H,30,31)/t24-/m1/s1
InChIKeyOSSUJYZVYHYLQZ-XMMPIXPASA-N
XLogP2.93
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide (CID 58440042) is 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide is CN1CCC(=O)N(c2ccc(Cc3cc(N[C@@H]4CCc5ccccc54)c(C(N)=O)cn3)nc2)CC1.
What is the InChIKey of 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is OSSUJYZVYHYLQZ-XMMPIXPASA-N. The full InChI is InChI=1S/C27H30N6O2/c1-32-11-10-26(34)33(13-12-32)21-8-7-19(29-16-21)14-20-15-25(23(17-30-20)27(28)35)31-24-9-6-18-4-2-3-5-22(18)24/h2-5,7-8,15-17,24H,6,9-14H2,1H3,(H2,28,35)(H,30,31)/t24-/m1/s1.
What are the key properties of 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58440042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).