N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide

C27H22F3N7O — CID 118646883

IUPACN-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide
SMILESN#Cc1ccccc1-c1cnc2ccc(C(=O)Nc3cnccc3N3C[C@@H](N)C[C@@H](C(F)(F)F)C3)nc2c1
InChIInChI=1S/C27H22F3N7O/c28-27(29,30)18-10-19(32)15-37(14-18)25-7-8-33-13-24(25)36-26(38)22-6-5-21-23(35-22)9-17(12-34-21)20-4-2-1-3-16(20)11-31/h1-9,12-13,18-19H,10,14-15,32H2,(H,36,38)/t18-,19+/m1/s1
InChIKeyDRJAZSHXQDOXMF-MOPGFXCFSA-N
MW517.52 g/mol
LogP4.53
Rot. Bonds4

About N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide

N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide (PubChem CID 118646883) has the molecular formula C27H22F3N7O and a molecular weight of 517.52 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide
PubChem CID118646883
Molecular FormulaC27H22F3N7O
Molecular Weight517.52 g/mol
Exact Mass517.18
IUPAC NameN-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide
SMILESN#Cc1ccccc1-c1cnc2ccc(C(=O)Nc3cnccc3N3C[C@@H](N)C[C@@H](C(F)(F)F)C3)nc2c1
InChIInChI=1S/C27H22F3N7O/c28-27(29,30)18-10-19(32)15-37(14-18)25-7-8-33-13-24(25)36-26(38)22-6-5-21-23(35-22)9-17(12-34-21)20-4-2-1-3-16(20)11-31/h1-9,12-13,18-19H,10,14-15,32H2,(H,36,38)/t18-,19+/m1/s1
InChIKeyDRJAZSHXQDOXMF-MOPGFXCFSA-N
XLogP4.53
TPSA120.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.52
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide (CID 118646883) is N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide is N#Cc1ccccc1-c1cnc2ccc(C(=O)Nc3cnccc3N3C[C@@H](N)C[C@@H](C(F)(F)F)C3)nc2c1.
What is the InChIKey of N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide?
The InChIKey is DRJAZSHXQDOXMF-MOPGFXCFSA-N. The full InChI is InChI=1S/C27H22F3N7O/c28-27(29,30)18-10-19(32)15-37(14-18)25-7-8-33-13-24(25)36-26(38)22-6-5-21-23(35-22)9-17(12-34-21)20-4-2-1-3-16(20)11-31/h1-9,12-13,18-19H,10,14-15,32H2,(H,36,38)/t18-,19+/m1/s1.
What are the key properties of N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide?
N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide has a molecular weight of 517.52 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(2-cyanophenyl)-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 118646883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).