3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one

C16H20N4O — CID 144894260

IUPAC3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one
SMILESCNc1cc(-c2c[nH]c(=O)c(N(C)CC3CC3)c2)ccn1
InChIInChI=1S/C16H20N4O/c1-17-15-8-12(5-6-18-15)13-7-14(16(21)19-9-13)20(2)10-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyHCZCQSHPGVEBHD-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.32
Rot. Bonds5

About 3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one

3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one (PubChem CID 144894260) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one
PubChem CID144894260
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one
SMILESCNc1cc(-c2c[nH]c(=O)c(N(C)CC3CC3)c2)ccn1
InChIInChI=1S/C16H20N4O/c1-17-15-8-12(5-6-18-15)13-7-14(16(21)19-9-13)20(2)10-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyHCZCQSHPGVEBHD-UHFFFAOYSA-N
XLogP2.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one
CID 144894259
3-[cyclopropylmethyl-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one
CID 118251228
3-[cyclopropylmethyl-[1-[4-(methylamino)but-2-enoyl]azetidin-3-yl]amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one
CID 154128045
3-[cyclopropylmethyl-[(3R)-1-[4-(methylamino)but-2-enoyl]pyrrolidin-3-yl]amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one
CID 123289487
5-[2-(methylamino)-4-pyridinyl]-3-[methyl-(1-prop-2-enoylpiperidin-4-yl)amino]-1H-pyridin-2-one
CID 118251466
3-[[(3S)-1-[(E)-4-aminobut-2-enoyl]piperidin-3-yl]-(cyclopropylmethyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one
CID 118251046
3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one
CID 144894285
3-[[1-[(E)-4-aminobut-2-enoyl]pyrrolidin-3-yl]-ethylamino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one
CID 118251421
3-[ethyl-[(3S)-1-[(E)-4-(propan-2-ylamino)but-2-enoyl]pyrrolidin-3-yl]amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one
CID 118251101
2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
CID 113367846
3-[cyclopropylmethyl-[(3R)-1-[(E)-4-(methylamino)but-2-enoyl]pyrrolidin-3-yl]amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one
CID 118251350
3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-[6-(methylamino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 118251024

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one (CID 144894260) is 3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one is CNc1cc(-c2c[nH]c(=O)c(N(C)CC3CC3)c2)ccn1.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one?
The InChIKey is HCZCQSHPGVEBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-17-15-8-12(5-6-18-15)13-7-14(16(21)19-9-13)20(2)10-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one?
3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]-5-[2-(methylamino)-4-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 144894260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).