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

C28H29N5O3 — CID 118644407

IUPACN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-[(1R,2R)-2-phenylcyclopropyl]furo[2,3-b]pyridine-6-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2ccc3cc([C@@H]4C[C@H]4c4ccccc4)oc3n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C28H29N5O3/c1-16-14-33(15-21(29)26(16)34)24-9-10-30-13-23(24)31-27(35)22-8-7-18-11-25(36-28(18)32-22)20-12-19(20)17-5-3-2-4-6-17/h2-11,13,16,19-21,26,34H,12,14-15,29H2,1H3,(H,31,35)/t16-,19-,20+,21+,26+/m0/s1
InChIKeyLESRWQUHWMOYGM-ZJVGNUQYSA-N
MW483.57 g/mol
LogP3.89
Rot. Bonds5

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

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-[(1R,2R)-2-phenylcyclopropyl]furo[2,3-b]pyridine-6-carboxamide (PubChem CID 118644407) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-[(1R,2R)-2-phenylcyclopropyl]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-[(1R,2R)-2-phenylcyclopropyl]furo[2,3-b]pyridine-6-carboxamide
PubChem CID118644407
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-[(1R,2R)-2-phenylcyclopropyl]furo[2,3-b]pyridine-6-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2ccc3cc([C@@H]4C[C@H]4c4ccccc4)oc3n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C28H29N5O3/c1-16-14-33(15-21(29)26(16)34)24-9-10-30-13-23(24)31-27(35)22-8-7-18-11-25(36-28(18)32-22)20-12-19(20)17-5-3-2-4-6-17/h2-11,13,16,19-21,26,34H,12,14-15,29H2,1H3,(H,31,35)/t16-,19-,20+,21+,26+/m0/s1
InChIKeyLESRWQUHWMOYGM-ZJVGNUQYSA-N
XLogP3.89
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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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-[(1R,2R)-2-phenylcyclopropyl]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-[(1R,2R)-2-phenylcyclopropyl]furo[2,3-b]pyridine-6-carboxamide (CID 118644407) is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-[(1R,2R)-2-phenylcyclopropyl]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-[(1R,2R)-2-phenylcyclopropyl]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-[(1R,2R)-2-phenylcyclopropyl]furo[2,3-b]pyridine-6-carboxamide is C[C@H]1CN(c2ccncc2NC(=O)c2ccc3cc([C@@H]4C[C@H]4c4ccccc4)oc3n2)C[C@@H](N)[C@@H]1O.
What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-[(1R,2R)-2-phenylcyclopropyl]furo[2,3-b]pyridine-6-carboxamide?
The InChIKey is LESRWQUHWMOYGM-ZJVGNUQYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-16-14-33(15-21(29)26(16)34)24-9-10-30-13-23(24)31-27(35)22-8-7-18-11-25(36-28(18)32-22)20-12-19(20)17-5-3-2-4-6-17/h2-11,13,16,19-21,26,34H,12,14-15,29H2,1H3,(H,31,35)/t16-,19-,20+,21+,26+/m0/s1.
What are the key properties of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-[(1R,2R)-2-phenylcyclopropyl]furo[2,3-b]pyridine-6-carboxamide?
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-[(1R,2R)-2-phenylcyclopropyl]furo[2,3-b]pyridine-6-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 3.89, 5 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-[(1R,2R)-2-phenylcyclopropyl]furo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 118644407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).