N-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide

C11H11N5O2 — CID 155730371

IUPACN-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide
SMILESCNc1c(-c2cnn(C=O)c2)ccnc1NC=O
InChIInChI=1S/C11H11N5O2/c1-12-10-9(2-3-13-11(10)14-6-17)8-4-15-16(5-8)7-18/h2-7,12H,1H3,(H,13,14,17)
InChIKeyWKAJKDVMVVPIBN-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.59
Rot. Bonds5

About N-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide

N-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide (PubChem CID 155730371) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide
PubChem CID155730371
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC NameN-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide
SMILESCNc1c(-c2cnn(C=O)c2)ccnc1NC=O
InChIInChI=1S/C11H11N5O2/c1-12-10-9(2-3-13-11(10)14-6-17)8-4-15-16(5-8)7-18/h2-7,12H,1H3,(H,13,14,17)
InChIKeyWKAJKDVMVVPIBN-UHFFFAOYSA-N
XLogP0.59
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide?
The IUPAC name of N-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide (CID 155730371) is N-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide.
What is the SMILES notation for N-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide?
The canonical SMILES for N-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide is CNc1c(-c2cnn(C=O)c2)ccnc1NC=O.
What is the InChIKey of N-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide?
The InChIKey is WKAJKDVMVVPIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-12-10-9(2-3-13-11(10)14-6-17)8-4-15-16(5-8)7-18/h2-7,12H,1H3,(H,13,14,17).
What are the key properties of N-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide?
N-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide has a molecular weight of 245.24 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-formylpyrazol-4-yl)-3-(methylamino)-2-pyridinyl]formamide is sourced from PubChem (CID 155730371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).