N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide

C17H21F3N4O — CID 133486904

IUPACN-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NCC2CCN(CC(F)(F)F)CC2)nc1
InChIInChI=1S/C17H21F3N4O/c1-2-7-21-16(25)14-3-4-15(23-11-14)22-10-13-5-8-24(9-6-13)12-17(18,19)20/h1,3-4,11,13H,5-10,12H2,(H,21,25)(H,22,23)
InChIKeyPOGCFDSQJARZOH-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.13
Rot. Bonds6

About N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide

N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide (PubChem CID 133486904) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide
PubChem CID133486904
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC NameN-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NCC2CCN(CC(F)(F)F)CC2)nc1
InChIInChI=1S/C17H21F3N4O/c1-2-7-21-16(25)14-3-4-15(23-11-14)22-10-13-5-8-24(9-6-13)12-17(18,19)20/h1,3-4,11,13H,5-10,12H2,(H,21,25)(H,22,23)
InChIKeyPOGCFDSQJARZOH-UHFFFAOYSA-N
XLogP2.13
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133441783
6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133399815
6-(dimethylamino)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95591144
N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
CID 133371456
6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133362088
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133486651
N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 71931528
6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133357122
4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 94815305
6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133325827
4-methyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-2-amine
CID 133486685
6-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133325717

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide?
The IUPAC name of N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide (CID 133486904) is N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide is C#CCNC(=O)c1ccc(NCC2CCN(CC(F)(F)F)CC2)nc1.
What is the InChIKey of N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide?
The InChIKey is POGCFDSQJARZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-2-7-21-16(25)14-3-4-15(23-11-14)22-10-13-5-8-24(9-6-13)12-17(18,19)20/h1,3-4,11,13H,5-10,12H2,(H,21,25)(H,22,23).
What are the key properties of N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide?
N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133486904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).