2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide

C24H31N5O3 — CID 159933956

IUPAC2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide
SMILESCCCc1cnc2c(C(=O)Nc3cnccc3N3C[C@@H](C)C(C)(O)[C@@H](C)C3)c(N)oc2c1
InChIInChI=1S/C24H31N5O3/c1-5-6-16-9-19-21(27-10-16)20(22(25)32-19)23(30)28-17-11-26-8-7-18(17)29-12-14(2)24(4,31)15(3)13-29/h7-11,14-15,31H,5-6,12-13,25H2,1-4H3,(H,28,30)/t14-,15+,24?
InChIKeyNZZPBQKOWYGEBZ-MJMFFAJBSA-N
MW437.54 g/mol
LogP3.85
Rot. Bonds5

About 2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide

2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide (PubChem CID 159933956) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide
PubChem CID159933956
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide
SMILESCCCc1cnc2c(C(=O)Nc3cnccc3N3C[C@@H](C)C(C)(O)[C@@H](C)C3)c(N)oc2c1
InChIInChI=1S/C24H31N5O3/c1-5-6-16-9-19-21(27-10-16)20(22(25)32-19)23(30)28-17-11-26-8-7-18(17)29-12-14(2)24(4,31)15(3)13-29/h7-11,14-15,31H,5-6,12-13,25H2,1-4H3,(H,28,30)/t14-,15+,24?
InChIKeyNZZPBQKOWYGEBZ-MJMFFAJBSA-N
XLogP3.85
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-4,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone
CID 157263192
2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone
CID 147438497
2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide
CID 126512728
tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate
CID 123762146
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide
CID 118644412
tert-butyl N-[1-[3-[[6-ethenyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]carbamate
CID 123274368
1-[2-amino-6-[(3-methoxypyrrolidin-1-yl)methyl]furo[3,2-b]pyridin-3-yl]-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone
CID 160548676
1-[2-amino-6-(difluoromethoxy)furo[3,2-b]pyridin-3-yl]-2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]ethanone
CID 149305656
1-[2-amino-6-(3-morpholin-4-ylpropyl)furo[3,2-b]pyridin-3-yl]-2-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]ethanone
CID 158436872
1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone
CID 159389175
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide
CID 118644327
1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 159405423

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide (CID 159933956) is 2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide is CCCc1cnc2c(C(=O)Nc3cnccc3N3C[C@@H](C)C(C)(O)[C@@H](C)C3)c(N)oc2c1.
What is the InChIKey of 2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide?
The InChIKey is NZZPBQKOWYGEBZ-MJMFFAJBSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-5-6-16-9-19-21(27-10-16)20(22(25)32-19)23(30)28-17-11-26-8-7-18(17)29-12-14(2)24(4,31)15(3)13-29/h7-11,14-15,31H,5-6,12-13,25H2,1-4H3,(H,28,30)/t14-,15+,24?.
What are the key properties of 2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide?
2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-3-pyridinyl]-6-propylfuro[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 159933956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).