6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one

C22H29N7O2 — CID 89080147

IUPAC6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one
SMILES[H]/N=C(/c1cccc(=O)[nH]1)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1
InChIInChI=1S/C22H29N7O2/c23-20(18-2-1-3-19(30)27-18)16-6-10-29(11-7-16)21(31)17-4-8-28(9-5-17)14-15-12-25-22(24)26-13-15/h1-3,12-13,16-17,23H,4-11,14H2,(H,27,30)(H2,24,25,26)/b23-20+
InChIKeyVQDXAQCZZAVRLG-BSYVCWPDSA-N
MW423.52 g/mol
LogP1.27
Rot. Bonds5

About 6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one

6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one (PubChem CID 89080147) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one
PubChem CID89080147
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one
SMILES[H]/N=C(/c1cccc(=O)[nH]1)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1
InChIInChI=1S/C22H29N7O2/c23-20(18-2-1-3-19(30)27-18)16-6-10-29(11-7-16)21(31)17-4-8-28(9-5-17)14-15-12-25-22(24)26-13-15/h1-3,12-13,16-17,23H,4-11,14H2,(H,27,30)(H2,24,25,26)/b23-20+
InChIKeyVQDXAQCZZAVRLG-BSYVCWPDSA-N
XLogP1.27
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one with MolForge

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Related Compounds

[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[4-(quinoxaline-2-carboximidoyl)piperidin-1-yl]methanone
CID 89080320
6-[C-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-N-methoxycarbonimidoyl]-1H-pyridin-2-one
CID 59275109
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(3-methylpyridine-2-carboximidoyl)piperidin-1-yl]methanone
CID 142137751
[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 21050175
[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone
CID 123886369
[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methanone
CID 21050139
[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[4-hydroxy-4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
CID 21306829
[1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 70780530
[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[4-(2-butan-2-ylsulfanyl-5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 71068412
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 58335010
N-[[1-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1-(4-chlorophenyl)propyl]carbamoyl]acetamide
CID 143382780
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)piperidin-1-yl]methanone
CID 44816346

Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one?
The IUPAC name of 6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one (CID 89080147) is 6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one is [H]/N=C(/c1cccc(=O)[nH]1)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1.
What is the InChIKey of 6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one?
The InChIKey is VQDXAQCZZAVRLG-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H29N7O2/c23-20(18-2-1-3-19(30)27-18)16-6-10-29(11-7-16)21(31)17-4-8-28(9-5-17)14-15-12-25-22(24)26-13-15/h1-3,12-13,16-17,23H,4-11,14H2,(H,27,30)(H2,24,25,26)/b23-20+.
What are the key properties of 6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one?
6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one has a molecular weight of 423.52 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one is sourced from PubChem (CID 89080147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).