N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide

C23H28N4O2 — CID 118644385

IUPACN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide
SMILESCC(C)c1coc2ccc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)nc12
InChIInChI=1S/C23H28N4O2/c1-13(2)18-12-29-21-5-4-19(26-22(18)21)23(28)27-20-11-25-7-6-17(20)15-8-14(3)9-16(24)10-15/h4-7,11-16H,8-10,24H2,1-3H3,(H,27,28)/t14-,15+,16-/m0/s1
InChIKeyBTUNBBZPTUAOIN-XHSDSOJGSA-N
MW392.50 g/mol
LogP4.83
Rot. Bonds4

About N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide

N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide (PubChem CID 118644385) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide
PubChem CID118644385
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide
SMILESCC(C)c1coc2ccc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)nc12
InChIInChI=1S/C23H28N4O2/c1-13(2)18-12-29-21-5-4-19(26-22(18)21)23(28)27-20-11-25-7-6-17(20)15-8-14(3)9-16(24)10-15/h4-7,11-16H,8-10,24H2,1-3H3,(H,27,28)/t14-,15+,16-/m0/s1
InChIKeyBTUNBBZPTUAOIN-XHSDSOJGSA-N
XLogP4.83
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide (CID 118644385) is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide is CC(C)c1coc2ccc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)nc12.
What is the InChIKey of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide?
The InChIKey is BTUNBBZPTUAOIN-XHSDSOJGSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-13(2)18-12-29-21-5-4-19(26-22(18)21)23(28)27-20-11-25-7-6-17(20)15-8-14(3)9-16(24)10-15/h4-7,11-16H,8-10,24H2,1-3H3,(H,27,28)/t14-,15+,16-/m0/s1.
What are the key properties of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide?
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).