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

C25H23N7O2 — CID 118644278

IUPACN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(5-cyano-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3occ(-c4cncc(C#N)c4)c3n2)C1
InChIInChI=1S/C25H23N7O2/c1-15-6-18(27)13-32(12-15)22-4-5-28-11-21(22)31-25(33)20-2-3-23-24(30-20)19(14-34-23)17-7-16(8-26)9-29-10-17/h2-5,7,9-11,14-15,18H,6,12-13,27H2,1H3,(H,31,33)/t15-,18+/m1/s1
InChIKeyRTNDJDLCUUKJGP-QAPCUYQASA-N
MW453.51 g/mol
LogP3.58
Rot. Bonds4

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

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(5-cyano-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide (PubChem CID 118644278) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(5-cyano-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(5-cyano-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
PubChem CID118644278
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(5-cyano-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3occ(-c4cncc(C#N)c4)c3n2)C1
InChIInChI=1S/C25H23N7O2/c1-15-6-18(27)13-32(12-15)22-4-5-28-11-21(22)31-25(33)20-2-3-23-24(30-20)19(14-34-23)17-7-16(8-26)9-29-10-17/h2-5,7,9-11,14-15,18H,6,12-13,27H2,1H3,(H,31,33)/t15-,18+/m1/s1
InChIKeyRTNDJDLCUUKJGP-QAPCUYQASA-N
XLogP3.58
TPSA133.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(5-cyano-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(5-cyano-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide (CID 118644278) is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(5-cyano-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(5-cyano-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(5-cyano-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide is C[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3occ(-c4cncc(C#N)c4)c3n2)C1.
What is the InChIKey of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(5-cyano-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
The InChIKey is RTNDJDLCUUKJGP-QAPCUYQASA-N. The full InChI is InChI=1S/C25H23N7O2/c1-15-6-18(27)13-32(12-15)22-4-5-28-11-21(22)31-25(33)20-2-3-23-24(30-20)19(14-34-23)17-7-16(8-26)9-29-10-17/h2-5,7,9-11,14-15,18H,6,12-13,27H2,1H3,(H,31,33)/t15-,18+/m1/s1.
What are the key properties of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(5-cyano-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(5-cyano-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(5-cyano-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).