N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide

C22H29N5O2 — CID 136579963

IUPACN-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)NC1CCN(CC2CC2)CC1
InChIInChI=1S/C22H29N5O2/c1-15-19(22(29)26-21(24-15)17-6-10-23-11-7-17)4-5-20(28)25-18-8-12-27(13-9-18)14-16-2-3-16/h6-7,10-11,16,18H,2-5,8-9,12-14H2,1H3,(H,25,28)(H,24,26,29)
InChIKeyJLWMOLFOPITUMT-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.06
Rot. Bonds7

About N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide

N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide (PubChem CID 136579963) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
PubChem CID136579963
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)NC1CCN(CC2CC2)CC1
InChIInChI=1S/C22H29N5O2/c1-15-19(22(29)26-21(24-15)17-6-10-23-11-7-17)4-5-20(28)25-18-8-12-27(13-9-18)14-16-2-3-16/h6-7,10-11,16,18H,2-5,8-9,12-14H2,1H3,(H,25,28)(H,24,26,29)
InChIKeyJLWMOLFOPITUMT-UHFFFAOYSA-N
XLogP2.06
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide (CID 136579963) is N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide is Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)NC1CCN(CC2CC2)CC1.
What is the InChIKey of N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide?
The InChIKey is JLWMOLFOPITUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-15-19(22(29)26-21(24-15)17-6-10-23-11-7-17)4-5-20(28)25-18-8-12-27(13-9-18)14-16-2-3-16/h6-7,10-11,16,18H,2-5,8-9,12-14H2,1H3,(H,25,28)(H,24,26,29).
What are the key properties of N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide?
N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide has a molecular weight of 395.51 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 136579963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).