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

C23H27N5O3 — CID 118644302

IUPACN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide
SMILESCC1CC1c1cc2ccc(C(=O)Nc3cnccc3N3C[C@@H](N)[C@H](O)[C@@H](C)C3)nc2o1
InChIInChI=1S/C23H27N5O3/c1-12-7-15(12)20-8-14-3-4-17(27-23(14)31-20)22(30)26-18-9-25-6-5-19(18)28-10-13(2)21(29)16(24)11-28/h3-6,8-9,12-13,15-16,21,29H,7,10-11,24H2,1-2H3,(H,26,30)/t12?,13-,15?,16+,21+/m0/s1
InChIKeyIJRCFRJEESBYIJ-NBFQZJGRSA-N
MW421.50 g/mol
LogP2.74
Rot. Bonds4

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

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide (PubChem CID 118644302) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide
PubChem CID118644302
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide
SMILESCC1CC1c1cc2ccc(C(=O)Nc3cnccc3N3C[C@@H](N)[C@H](O)[C@@H](C)C3)nc2o1
InChIInChI=1S/C23H27N5O3/c1-12-7-15(12)20-8-14-3-4-17(27-23(14)31-20)22(30)26-18-9-25-6-5-19(18)28-10-13(2)21(29)16(24)11-28/h3-6,8-9,12-13,15-16,21,29H,7,10-11,24H2,1-2H3,(H,26,30)/t12?,13-,15?,16+,21+/m0/s1
InChIKeyIJRCFRJEESBYIJ-NBFQZJGRSA-N
XLogP2.74
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide (CID 118644302) is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide is CC1CC1c1cc2ccc(C(=O)Nc3cnccc3N3C[C@@H](N)[C@H](O)[C@@H](C)C3)nc2o1.
What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide?
The InChIKey is IJRCFRJEESBYIJ-NBFQZJGRSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-12-7-15(12)20-8-14-3-4-17(27-23(14)31-20)22(30)26-18-9-25-6-5-19(18)28-10-13(2)21(29)16(24)11-28/h3-6,8-9,12-13,15-16,21,29H,7,10-11,24H2,1-2H3,(H,26,30)/t12?,13-,15?,16+,21+/m0/s1.
What are the key properties of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide?
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 118644302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).