2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide

C20H21F3N4O3 — CID 67510173

IUPAC2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)cc(NC(=O)CC2CC2)n1
InChIInChI=1S/C20H21F3N4O3/c1-12-6-15(8-16(26-12)27-17(28)7-13-2-3-13)19(29)25-10-14-4-5-18(24-9-14)30-11-20(21,22)23/h4-6,8-9,13H,2-3,7,10-11H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyQMLPNNGCDILZAP-UHFFFAOYSA-N
MW422.41 g/mol
LogP3.39
Rot. Bonds8

About 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide

2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 67510173) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
PubChem CID67510173
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)cc(NC(=O)CC2CC2)n1
InChIInChI=1S/C20H21F3N4O3/c1-12-6-15(8-16(26-12)27-17(28)7-13-2-3-13)19(29)25-10-14-4-5-18(24-9-14)30-11-20(21,22)23/h4-6,8-9,13H,2-3,7,10-11H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyQMLPNNGCDILZAP-UHFFFAOYSA-N
XLogP3.39
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67511008
N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509543
2-methyl-6-(2-methylpropanoylamino)-N-[[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426679
2-acetamido-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510299
3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 174836820
2-acetamido-6-methyl-N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67511047
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67510976
N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide
CID 159507853
2-acetamido-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67511302
2-(cyclopentanecarbonylamino)-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67509297
2-methyl-6-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508904
2-methyl-6-(2-methylpropanoylamino)-N-[[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67511532

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide (CID 67510173) is 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)cc(NC(=O)CC2CC2)n1.
What is the InChIKey of 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The InChIKey is QMLPNNGCDILZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-12-6-15(8-16(26-12)27-17(28)7-13-2-3-13)19(29)25-10-14-4-5-18(24-9-14)30-11-20(21,22)23/h4-6,8-9,13H,2-3,7,10-11H2,1H3,(H,25,29)(H,26,27,28).
What are the key properties of 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 67510173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).