2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide

C22H35N5O2 — CID 164634307

IUPAC2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESCc1ncc(C(=O)N2CCC[C@H](N(CCCN3CCCC3)C(=O)C(C)C)C2)cn1
InChIInChI=1S/C22H35N5O2/c1-17(2)21(28)27(13-7-11-25-9-4-5-10-25)20-8-6-12-26(16-20)22(29)19-14-23-18(3)24-15-19/h14-15,17,20H,4-13,16H2,1-3H3/t20-/m0/s1
InChIKeyZGHBGDVIEWFANQ-FQEVSTJZSA-N
MW401.56 g/mol
LogP2.36
Rot. Bonds7

About 2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide

2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 164634307) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID164634307
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESCc1ncc(C(=O)N2CCC[C@H](N(CCCN3CCCC3)C(=O)C(C)C)C2)cn1
InChIInChI=1S/C22H35N5O2/c1-17(2)21(28)27(13-7-11-25-9-4-5-10-25)20-8-6-12-26(16-20)22(29)19-14-23-18(3)24-15-19/h14-15,17,20H,4-13,16H2,1-3H3/t20-/m0/s1
InChIKeyZGHBGDVIEWFANQ-FQEVSTJZSA-N
XLogP2.36
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide (CID 164634307) is 2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide is Cc1ncc(C(=O)N2CCC[C@H](N(CCCN3CCCC3)C(=O)C(C)C)C2)cn1.
What is the InChIKey of 2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is ZGHBGDVIEWFANQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-17(2)21(28)27(13-7-11-25-9-4-5-10-25)20-8-6-12-26(16-20)22(29)19-14-23-18(3)24-15-19/h14-15,17,20H,4-13,16H2,1-3H3/t20-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide?
2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 401.56 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 164634307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).