(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

C18H24N6O — CID 97033170

IUPAC(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(NCCCNC(=O)[C@H]2CCCN2c2ncccn2)nc1
InChIInChI=1S/C18H24N6O/c1-14-6-7-16(23-13-14)19-8-3-9-20-17(25)15-5-2-12-24(15)18-21-10-4-11-22-18/h4,6-7,10-11,13,15H,2-3,5,8-9,12H2,1H3,(H,19,23)(H,20,25)/t15-/m1/s1
InChIKeyMJWZTZUQOLHCQZ-OAHLLOKOSA-N
MW340.43 g/mol
LogP1.77
Rot. Bonds7

About (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (PubChem CID 97033170) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
PubChem CID97033170
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(NCCCNC(=O)[C@H]2CCCN2c2ncccn2)nc1
InChIInChI=1S/C18H24N6O/c1-14-6-7-16(23-13-14)19-8-3-9-20-17(25)15-5-2-12-24(15)18-21-10-4-11-22-18/h4,6-7,10-11,13,15H,2-3,5,8-9,12H2,1H3,(H,19,23)(H,20,25)/t15-/m1/s1
InChIKeyMJWZTZUQOLHCQZ-OAHLLOKOSA-N
XLogP1.77
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 51935919
N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103861720
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103801069
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide
CID 131922621
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide
CID 119888082
(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95302854
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119888081
(2S)-1-(4-methylphenyl)sulfonyl-N-[2-(pyridin-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 60589639
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154911752
N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 138041639
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide
CID 124626187
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]acetamide
CID 124749664

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (CID 97033170) is (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is Cc1ccc(NCCCNC(=O)[C@H]2CCCN2c2ncccn2)nc1.
What is the InChIKey of (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is MJWZTZUQOLHCQZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N6O/c1-14-6-7-16(23-13-14)19-8-3-9-20-17(25)15-5-2-12-24(15)18-21-10-4-11-22-18/h4,6-7,10-11,13,15H,2-3,5,8-9,12H2,1H3,(H,19,23)(H,20,25)/t15-/m1/s1.
What are the key properties of (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 97033170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).