N-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide

C17H25N5O3 — CID 154726164

IUPACN-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1cccnc1CNC(=O)NC1CC1
InChIInChI=1S/C17H25N5O3/c23-16(5-7-22-8-10-25-11-9-22)21-14-2-1-6-18-15(14)12-19-17(24)20-13-3-4-13/h1-2,6,13H,3-5,7-12H2,(H,21,23)(H2,19,20,24)
InChIKeyIHYORDNRPPOKNN-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.70
Rot. Bonds7

About N-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide

N-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide (PubChem CID 154726164) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide
PubChem CID154726164
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1cccnc1CNC(=O)NC1CC1
InChIInChI=1S/C17H25N5O3/c23-16(5-7-22-8-10-25-11-9-22)21-14-2-1-6-18-15(14)12-19-17(24)20-13-3-4-13/h1-2,6,13H,3-5,7-12H2,(H,21,23)(H2,19,20,24)
InChIKeyIHYORDNRPPOKNN-UHFFFAOYSA-N
XLogP0.70
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
CID 116657152
3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide
CID 10815829
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
1-cyclopropyl-3-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]urea
CID 113025672
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906
N-cyclopropyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 2697520
N-(cyclopentylcarbamoyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 31698296
2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
CID 24588779
3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 56525571
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656

Frequently Asked Questions

What is the IUPAC name of N-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide (CID 154726164) is N-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)Nc1cccnc1CNC(=O)NC1CC1.
What is the InChIKey of N-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide?
The InChIKey is IHYORDNRPPOKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c23-16(5-7-22-8-10-25-11-9-22)21-14-2-1-6-18-15(14)12-19-17(24)20-13-3-4-13/h1-2,6,13H,3-5,7-12H2,(H,21,23)(H2,19,20,24).
What are the key properties of N-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide?
N-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide has a molecular weight of 347.42 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(cyclopropylcarbamoylamino)methyl]-3-pyridinyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 154726164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).