2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide

C20H24F2N4O3 — CID 150016762

IUPAC2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCC(F)F)cc2CN)cc(C)n1
InChIInChI=1S/C20H24F2N4O3/c1-11-6-14(8-19(24-11)26-13(3)27)20(28)25-12(2)17-5-4-16(7-15(17)9-23)29-10-18(21)22/h4-8,12,18H,9-10,23H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyDEKUIWCHMGJIHA-UHFFFAOYSA-N
MW406.43 g/mol
LogP2.94
Rot. Bonds8

About 2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide

2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide (PubChem CID 150016762) has the molecular formula C20H24F2N4O3 and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide
PubChem CID150016762
Molecular FormulaC20H24F2N4O3
Molecular Weight406.43 g/mol
Exact Mass406.18
IUPAC Name2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCC(F)F)cc2CN)cc(C)n1
InChIInChI=1S/C20H24F2N4O3/c1-11-6-14(8-19(24-11)26-13(3)27)20(28)25-12(2)17-5-4-16(7-15(17)9-23)29-10-18(21)22/h4-8,12,18H,9-10,23H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyDEKUIWCHMGJIHA-UHFFFAOYSA-N
XLogP2.94
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(6-methylpyridin-2-yl)benzamide
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(4S)-4-[(1R)-1-hydroxy-2-[(3-propan-2-ylphenyl)methylamino]ethyl]-19-methyl-11-oxa-3,16,18-triazatricyclo[15.3.1.16,10]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
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(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide
CID 57404708
(2S)-2-acetamido-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide
CID 57407169
4-butoxy-N-(6-methylpyridin-2-yl)benzamide
CID 3237591
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CID 76310617
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CID 76328695
2-(3-Butoxyphenyl)-1-[8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 76336001
2-[3-(2,2-Dimethylpropoxy)phenyl]-1-[8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]ethanone
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US9656959, Example 11
CID 57404707
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide (CID 150016762) is 2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCC(F)F)cc2CN)cc(C)n1.
What is the InChIKey of 2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide?
The InChIKey is DEKUIWCHMGJIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O3/c1-11-6-14(8-19(24-11)26-13(3)27)20(28)25-12(2)17-5-4-16(7-15(17)9-23)29-10-18(21)22/h4-8,12,18H,9-10,23H2,1-3H3,(H,25,28)(H,24,26,27).
What are the key properties of 2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide?
2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 150016762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).