N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide

C20H29N5O2 — CID 97361600

IUPACN-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESCCCCN(CC)C(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C
InChIInChI=1S/C20H29N5O2/c1-4-6-7-24(5-2)19(26)18-12-16(15-23(18)3)17-13-21-20(22-14-17)25-8-10-27-11-9-25/h12-15H,4-11H2,1-3H3
InChIKeyCSWYDADQNQTHRU-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.58
Rot. Bonds7

About N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide

N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide (PubChem CID 97361600) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
PubChem CID97361600
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESCCCCN(CC)C(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C
InChIInChI=1S/C20H29N5O2/c1-4-6-7-24(5-2)19(26)18-12-16(15-23(18)3)17-13-21-20(22-14-17)25-8-10-27-11-9-25/h12-15H,4-11H2,1-3H3
InChIKeyCSWYDADQNQTHRU-UHFFFAOYSA-N
XLogP2.58
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443096
N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 155900630
N-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 97361576
4-amino-N,N-dibutyl-1-methylpyrrole-2-carboxamide
CID 43643260
N-[(2,4-difluorophenyl)methyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850151
1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155834046
N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 46981662
4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide
CID 61108331
1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 97407343
4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 97443109
[1-(cyclopropylmethyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrol-2-yl]-(oxazinan-2-yl)methanone
CID 97361746
N-butyl-N-methyl-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276632

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The IUPAC name of N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide (CID 97361600) is N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide is CCCCN(CC)C(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C.
What is the InChIKey of N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The InChIKey is CSWYDADQNQTHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-4-6-7-24(5-2)19(26)18-12-16(15-23(18)3)17-13-21-20(22-14-17)25-8-10-27-11-9-25/h12-15H,4-11H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 97361600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).