(2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H25N5O — CID 94798718

IUPAC(2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C18H25N5O/c1-12(16-13(2)21-22(4)14(16)3)18(24)20-15-8-7-9-19-17(15)23-10-5-6-11-23/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,24)/t12-/m0/s1
InChIKeyVTSMCMWIKJQQLJ-LBPRGKRZSA-N
MW327.43 g/mol
LogP2.77
Rot. Bonds4

About (2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 94798718) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID94798718
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C18H25N5O/c1-12(16-13(2)21-22(4)14(16)3)18(24)20-15-8-7-9-19-17(15)23-10-5-6-11-23/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,24)/t12-/m0/s1
InChIKeyVTSMCMWIKJQQLJ-LBPRGKRZSA-N
XLogP2.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 94798718) is (2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cccnc1N1CCCC1.
What is the InChIKey of (2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is VTSMCMWIKJQQLJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12(16-13(2)21-22(4)14(16)3)18(24)20-15-8-7-9-19-17(15)23-10-5-6-11-23/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,24)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 94798718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).