N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide

C18H27N5O — CID 128999875

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide
SMILESCN(Cc1ncccn1)C1CCN(C(=O)NCC2(C3CC3)CC2)C1
InChIInChI=1S/C18H27N5O/c1-22(12-16-19-8-2-9-20-16)15-5-10-23(11-15)17(24)21-13-18(6-7-18)14-3-4-14/h2,8-9,14-15H,3-7,10-13H2,1H3,(H,21,24)
InChIKeyIOLORJCHRSZPRQ-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.88
Rot. Bonds6

About N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide

N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide (PubChem CID 128999875) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide
PubChem CID128999875
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide
SMILESCN(Cc1ncccn1)C1CCN(C(=O)NCC2(C3CC3)CC2)C1
InChIInChI=1S/C18H27N5O/c1-22(12-16-19-8-2-9-20-16)15-5-10-23(11-15)17(24)21-13-18(6-7-18)14-3-4-14/h2,8-9,14-15H,3-7,10-13H2,1H3,(H,21,24)
InChIKeyIOLORJCHRSZPRQ-UHFFFAOYSA-N
XLogP1.88
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide
CID 129339458
(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide
CID 129331074
(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 129344240
(3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide
CID 137179509
(2R)-2-hydroxy-1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-phenylethanone
CID 129477695
(2S)-2-hydroxy-1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-phenylethanone
CID 129477697
3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one
CID 128999786
[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 129477332
4-methoxy-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pentan-1-one
CID 128999784
1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 128999819
(4S)-4-methoxy-1-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pentan-1-one
CID 129477351
(2-methoxyphenyl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone
CID 129477579

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide (CID 128999875) is N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide is CN(Cc1ncccn1)C1CCN(C(=O)NCC2(C3CC3)CC2)C1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide?
The InChIKey is IOLORJCHRSZPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-22(12-16-19-8-2-9-20-16)15-5-10-23(11-15)17(24)21-13-18(6-7-18)14-3-4-14/h2,8-9,14-15H,3-7,10-13H2,1H3,(H,21,24).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide?
N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 128999875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).