(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide

C19H23N5O — CID 99854148

IUPAC(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide
SMILESCc1n[nH]c(C)c1[C@H](C)C(=O)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C19H23N5O/c1-12(18-13(2)23-24-14(18)3)19(25)21-11-10-20-17-9-8-15-6-4-5-7-16(15)22-17/h4-9,12H,10-11H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)/t12-/m0/s1
InChIKeyVZPVKZMBTNDROA-LBPRGKRZSA-N
MW337.43 g/mol
LogP2.91
Rot. Bonds6

About (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide

(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide (PubChem CID 99854148) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide
PubChem CID99854148
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide
SMILESCc1n[nH]c(C)c1[C@H](C)C(=O)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C19H23N5O/c1-12(18-13(2)23-24-14(18)3)19(25)21-11-10-20-17-9-8-15-6-4-5-7-16(15)22-17/h4-9,12H,10-11H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)/t12-/m0/s1
InChIKeyVZPVKZMBTNDROA-LBPRGKRZSA-N
XLogP2.91
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide
CID 136565853
1-N-quinolin-2-ylbutane-1,3-diamine
CID 63251635
methyl 3-(quinolin-2-ylamino)propanoate
CID 60632060
N-propyl-3-(quinolin-2-ylamino)propanamide
CID 61065980
2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide
CID 125463812
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide
CID 95348639
2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide
CID 154837239
5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 126840990
4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide
CID 86975020
N-ethyl-2-(quinolin-2-ylamino)acetamide
CID 43398620
3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 71991071
N-tert-butyl-2-[[ethylamino-[2-(quinolin-2-ylamino)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111382928

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide?
The IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide (CID 99854148) is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide is Cc1n[nH]c(C)c1[C@H](C)C(=O)NCCNc1ccc2ccccc2n1.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide?
The InChIKey is VZPVKZMBTNDROA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12(18-13(2)23-24-14(18)3)19(25)21-11-10-20-17-9-8-15-6-4-5-7-16(15)22-17/h4-9,12H,10-11H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)/t12-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide?
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide has a molecular weight of 337.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 99854148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).