1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide

C18H23N7O — CID 138805949

IUPAC1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide
SMILESCNC1=C(/C(N)=N/c2ccnc(-c3cnn(C)c3)c2)CN(C(C)=O)CC1
InChIInChI=1S/C18H23N7O/c1-12(26)25-7-5-16(20-2)15(11-25)18(19)23-14-4-6-21-17(8-14)13-9-22-24(3)10-13/h4,6,8-10,20H,5,7,11H2,1-3H3,(H2,19,21,23)
InChIKeyUEVONUKFMUKGKR-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.20
Rot. Bonds4

About 1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide

1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide (PubChem CID 138805949) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide.

Molecular Properties

Compound Name1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide
PubChem CID138805949
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide
SMILESCNC1=C(/C(N)=N/c2ccnc(-c3cnn(C)c3)c2)CN(C(C)=O)CC1
InChIInChI=1S/C18H23N7O/c1-12(26)25-7-5-16(20-2)15(11-25)18(19)23-14-4-6-21-17(8-14)13-9-22-24(3)10-13/h4,6,8-10,20H,5,7,11H2,1-3H3,(H2,19,21,23)
InChIKeyUEVONUKFMUKGKR-UHFFFAOYSA-N
XLogP1.20
TPSA101.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 89740667
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N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide?
The IUPAC name of 1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide (CID 138805949) is 1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide.
What is the SMILES notation for 1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide?
The canonical SMILES for 1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide is CNC1=C(/C(N)=N/c2ccnc(-c3cnn(C)c3)c2)CN(C(C)=O)CC1.
What is the InChIKey of 1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide?
The InChIKey is UEVONUKFMUKGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-12(26)25-7-5-16(20-2)15(11-25)18(19)23-14-4-6-21-17(8-14)13-9-22-24(3)10-13/h4,6,8-10,20H,5,7,11H2,1-3H3,(H2,19,21,23).
What are the key properties of 1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide?
1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide has a molecular weight of 353.43 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-(methylamino)-N'-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridine-5-carboximidamide is sourced from PubChem (CID 138805949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).