N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide

C14H19N5O2 — CID 175800552

IUPACN-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide
SMILESC=CC(=O)N1CCC[C@@H](Nc2cc(NC(C)=O)ncn2)C1
InChIInChI=1S/C14H19N5O2/c1-3-14(21)19-6-4-5-11(8-19)18-13-7-12(15-9-16-13)17-10(2)20/h3,7,9,11H,1,4-6,8H2,2H3,(H2,15,16,17,18,20)/t11-/m1/s1
InChIKeyKVTYNCIUCQUZQV-LLVKDONJSA-N
MW289.34 g/mol
LogP1.02
Rot. Bonds4

About N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide

N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide (PubChem CID 175800552) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide
PubChem CID175800552
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide
SMILESC=CC(=O)N1CCC[C@@H](Nc2cc(NC(C)=O)ncn2)C1
InChIInChI=1S/C14H19N5O2/c1-3-14(21)19-6-4-5-11(8-19)18-13-7-12(15-9-16-13)17-10(2)20/h3,7,9,11H,1,4-6,8H2,2H3,(H2,15,16,17,18,20)/t11-/m1/s1
InChIKeyKVTYNCIUCQUZQV-LLVKDONJSA-N
XLogP1.02
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-prop-2-enoylpiperidin-3-yl)acetamide
CID 60949044
ethane;1-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one
CID 145095603
1-[3-[(5-ethenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one
CID 123219802
N-ethyl-2-[(1-prop-2-enoylpiperidin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673913
1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 147772732
1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
CID 75390795
1-[3-[(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;methoxymethane
CID 153403468
1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529
4-amino-N-(3,4-dimethoxyphenyl)-6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidine-5-carboxamide
CID 152628745
ethyl 4-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 146361932
4-[4-amino-6-[(1-prop-2-enoylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 145010942
1-[(3S)-3-(tert-butylamino)azepan-1-yl]prop-2-en-1-one
CID 146367286

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide (CID 175800552) is N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide is C=CC(=O)N1CCC[C@@H](Nc2cc(NC(C)=O)ncn2)C1.
What is the InChIKey of N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide?
The InChIKey is KVTYNCIUCQUZQV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-14(21)19-6-4-5-11(8-19)18-13-7-12(15-9-16-13)17-10(2)20/h3,7,9,11H,1,4-6,8H2,2H3,(H2,15,16,17,18,20)/t11-/m1/s1.
What are the key properties of N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide?
N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 175800552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).