methyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate

C19H21N5O2 — CID 152700828

IUPACmethyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2ccc(NCCCc3cnn(C)c3)cn2)c1
InChIInChI=1S/C19H21N5O2/c1-24-13-14(11-23-24)4-3-8-20-16-5-6-17(22-12-16)18-10-15(7-9-21-18)19(25)26-2/h5-7,9-13,20H,3-4,8H2,1-2H3
InChIKeyZRNRQFJBSCWMRU-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.71
Rot. Bonds7

About methyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate

methyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate (PubChem CID 152700828) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is methyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate
PubChem CID152700828
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Namemethyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2ccc(NCCCc3cnn(C)c3)cn2)c1
InChIInChI=1S/C19H21N5O2/c1-24-13-14(11-23-24)4-3-8-20-16-5-6-17(22-12-16)18-10-15(7-9-21-18)19(25)26-2/h5-7,9-13,20H,3-4,8H2,1-2H3
InChIKeyZRNRQFJBSCWMRU-UHFFFAOYSA-N
XLogP2.71
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 326419
methyl 4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-4-carboxylate (N4)
CID 121595845
Methyl 4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoate
CID 11508699
ethyl 4-(4-benzylphenylamino)-3-cyano-5-methylH-pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 20791619
Ethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
CID 156770112
Diethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 12088573
Methyl 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate
CID 752167
ethyl 1-phenyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxylate
CID 883633
ethyl 4-({[1-phenyl-3-(4-pyridinyl)-1H-pyrazol-4-yl]carbonyl}amino)benzoate
CID 1287871
3-[[Cyclohexylcarbamoyl-(1,3-dimethyl-1H-pyrazol-4-yl)-methyl]-(pyrazine-2-carbonyl)-amino]-benzoic acid methyl ester
CID 3185081
4-[[Cyclohexylcarbamoyl-(1,3-dimethyl-1H-pyrazol-4-yl)-methyl]-(pyrazine-2-carbonyl)-amino]-benzoic acid ethyl ester
CID 3185082
Ethyl 3-[(pyrazolo[1,5-a]pyridin-2-ylcarbonyl)amino]benzoate
CID 16024845

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate (CID 152700828) is methyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate is COC(=O)c1ccnc(-c2ccc(NCCCc3cnn(C)c3)cn2)c1.
What is the InChIKey of methyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate?
The InChIKey is ZRNRQFJBSCWMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-24-13-14(11-23-24)4-3-8-20-16-5-6-17(22-12-16)18-10-15(7-9-21-18)19(25)26-2/h5-7,9-13,20H,3-4,8H2,1-2H3.
What are the key properties of methyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate?
methyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[3-(1-methylpyrazol-4-yl)propylamino]-2-pyridinyl]pyridine-4-carboxylate is sourced from PubChem (CID 152700828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).