N-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide

C22H19N5O2 — CID 160740367

IUPACN-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccnc(Cc3ccc(CO)nc3)n2)ccc1NC(=O)C1CC1
InChIInChI=1S/C22H19N5O2/c23-11-17-10-16(4-6-19(17)27-22(29)15-2-3-15)20-7-8-24-21(26-20)9-14-1-5-18(13-28)25-12-14/h1,4-8,10,12,15,28H,2-3,9,13H2,(H,27,29)
InChIKeyRVMMNOWATUFSSS-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.84
Rot. Bonds6

About N-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide

N-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide (PubChem CID 160740367) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide
PubChem CID160740367
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccnc(Cc3ccc(CO)nc3)n2)ccc1NC(=O)C1CC1
InChIInChI=1S/C22H19N5O2/c23-11-17-10-16(4-6-19(17)27-22(29)15-2-3-15)20-7-8-24-21(26-20)9-14-1-5-18(13-28)25-12-14/h1,4-8,10,12,15,28H,2-3,9,13H2,(H,27,29)
InChIKeyRVMMNOWATUFSSS-UHFFFAOYSA-N
XLogP2.84
TPSA111.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-cyano-4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide
CID 159421591
N-[2-cyano-4-[2-[[3-(2-hydroxyethylsulfinamoylmethyl)phenyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide;hydrate
CID 159151870
N-[2-cyano-4-[2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide
CID 66571679
N-[2-cyano-4-[2-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]phenyl]-2-methylpropanamide
CID 162226109
5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-2-(propan-2-ylamino)benzonitrile
CID 160572474
N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide
CID 159717900
2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile
CID 146694832
(2S)-N-[4-[2-[(6-acetamido-3-pyridinyl)amino]pyrimidin-4-yl]-2-cyanophenyl]pyrrolidine-2-carboxamide
CID 66685477
2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile
CID 158935138
2-(2-chlorophenyl)-N-[2-cyano-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]phenyl]acetamide
CID 130204505
tert-butyl (3R)-3-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]amino]pyrimidin-4-yl]phenoxy]pyrrolidine-1-carboxylate
CID 70912815
N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide
CID 129243996

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide (CID 160740367) is N-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide is N#Cc1cc(-c2ccnc(Cc3ccc(CO)nc3)n2)ccc1NC(=O)C1CC1.
What is the InChIKey of N-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is RVMMNOWATUFSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c23-11-17-10-16(4-6-19(17)27-22(29)15-2-3-15)20-7-8-24-21(26-20)9-14-1-5-18(13-28)25-12-14/h1,4-8,10,12,15,28H,2-3,9,13H2,(H,27,29).
What are the key properties of N-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide?
N-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 385.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-4-[2-[[6-(hydroxymethyl)-3-pyridinyl]methyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 160740367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).