(2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide

C18H27N5O — CID 97071138

IUPAC(2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide
SMILESCc1ccc(NCCCNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)nc1
InChIInChI=1S/C18H27N5O/c1-12-6-7-17(21-11-12)19-8-5-9-20-18(24)13(2)10-16-14(3)22-23-15(16)4/h6-7,11,13H,5,8-10H2,1-4H3,(H,19,21)(H,20,24)(H,22,23)/t13-/m1/s1
InChIKeyLJCRQGYJVOZQDU-CYBMUJFWSA-N
MW329.45 g/mol
LogP2.53
Rot. Bonds8

About (2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide

(2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide (PubChem CID 97071138) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide.

Molecular Properties

Compound Name(2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide
PubChem CID97071138
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide
SMILESCc1ccc(NCCCNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)nc1
InChIInChI=1S/C18H27N5O/c1-12-6-7-17(21-11-12)19-8-5-9-20-18(24)13(2)10-16-14(3)22-23-15(16)4/h6-7,11,13H,5,8-10H2,1-4H3,(H,19,21)(H,20,24)(H,22,23)/t13-/m1/s1
InChIKeyLJCRQGYJVOZQDU-CYBMUJFWSA-N
XLogP2.53
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide with MolForge

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Related Compounds

(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99928932
2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 119888065
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide
CID 119888018
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide
CID 119888012
4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 120565647
3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 91767625
1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 51959987
methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate
CID 62006414
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154911752
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide
CID 119888082
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]propanamide
CID 166227113
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119888081

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide?
The IUPAC name of (2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide (CID 97071138) is (2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide.
What is the SMILES notation for (2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide?
The canonical SMILES for (2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide is Cc1ccc(NCCCNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)nc1.
What is the InChIKey of (2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide?
The InChIKey is LJCRQGYJVOZQDU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27N5O/c1-12-6-7-17(21-11-12)19-8-5-9-20-18(24)13(2)10-16-14(3)22-23-15(16)4/h6-7,11,13H,5,8-10H2,1-4H3,(H,19,21)(H,20,24)(H,22,23)/t13-/m1/s1.
What are the key properties of (2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide?
(2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide has a molecular weight of 329.45 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide is sourced from PubChem (CID 97071138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).